4-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-chloranyl-butan-2-ol

Systemtic Name: 4-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-chloranyl-butan-2-ol Openeye Name: 4-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-chloro-butan-2-ol CAS Name: 4-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-chloro-2-butanol IUPAC Name: 4-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-chlorobutan-2-ol Traditional Name: 4-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-chloro-butan-2-ol Formula: C12H14Cl2N4OS MolecularWeight: 333.23676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(N2N)SCCC(CCl)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(N2N)SCCC(CCl)O)Cl

InChI

InChI=1S/C12H14Cl2N4OS/c13-7-10(19)5-6-20-12-17-16-11(18(12)15)8-1-3-9(14)4-2-8/h1-4,10,19H,5-7,15H2